N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-butyl-N~2~-(tert-butylcarbamoyl)-N-[(3-methylthiophen-2-yl)methyl]glycinamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-butyl-N~2~-(tert-butylcarbamoyl)-N-[(3-methylthiophen-2-yl)methyl]glycinamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-butyl-N~2~-(tert-butylcarbamoyl)-N-[(3-methylthiophen-2-yl)methyl]glycinamide
Compound characteristics
| Compound ID: | V011-8567 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-butyl-N~2~-(tert-butylcarbamoyl)-N-[(3-methylthiophen-2-yl)methyl]glycinamide |
| Molecular Weight: | 473.63 |
| Molecular Formula: | C25 H35 N3 O4 S |
| Smiles: | CCCCN(CC(N(Cc1ccc2c(c1)OCO2)Cc1c(C)ccs1)=O)C(NC(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0365 |
| logD: | 5.0365 |
| logSw: | -4.6067 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.484 |
| InChI Key: | JDDBCSSPGFSCSQ-UHFFFAOYSA-N |